CID 54712

81217-04-1

Structural Information

Molecular Formula
C24H24N4O4
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C(C)C)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C24H24N4O4/c1-14(2)20(27-22(30)17-12-8-9-13-18(17)23(27)31)21(29)25-19-15(3)26(4)28(24(19)32)16-10-6-5-7-11-16/h5-14,20H,1-4H3,(H,25,29)
InChIKey
BWZRPMHONFIOPK-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.17975 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18703 203.0
[M+Na]+ 455.16897 214.4
[M+NH4]+ 450.21357 207.0
[M+K]+ 471.14291 213.6
[M-H]- 431.17247 205.6
[M+Na-2H]- 453.15442 206.8
[M]+ 432.17920 205.0
[M]- 432.18030 205.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.